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Structure paper

TitleDesign, synthesis, X-ray studies, and biological evaluation of novel macrocyclic HIV-1 protease inhibitors involving the P1'-P2' ligands.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 27, Page 4925-4931, Year 2017
Publish dateJul 27, 2017 (structure data deposition date)
AuthorsGhosh, A.K. / Sean Fyvie, W. / Brindisi, M. / Steffey, M. / Agniswamy, J. / Wang, Y.F. / Aoki, M. / Amano, M. / Weber, I.T. / Mitsuya, H.
External linksBioorg. Med. Chem. Lett. / PubMed:28958624
MethodsX-ray diffraction
Resolution1.27 Å
Structure data

PDB-5wlo:
a novel 13-ring macrocyclic HIV-1 protease inhibitors involving the P1'-P2' ligands
Method: X-RAY DIFFRACTION / Resolution: 1.27 Å

Chemicals

ChemComp-NA:
Unknown entry

ChemComp-CL:
Unknown entry

ChemComp-GR7:
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[(7E)-13-methoxy-1,1-dioxo-1,4,5,6,9,11-hexahydro-10,1lambda~6~,2-benzoxathiazacyclotridecin-2(3H)-yl]-1-phenylbutan-2-yl}carbamate

ChemComp-GOL:
GLYCEROL

ChemComp-ACT:
ACETATE ION

ChemComp-HOH:
WATER

Source
  • human immunodeficiency virus 1
Keywordshydrolase/hydrolase inhibitor / HIV protease / Macrocyclic inhibitors / P1'- P2' ligands / Drug resistance / HYDROLASE / hydrolase-hydrolase inhibitor complex

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